#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbi s ALA 2 N 0.00 0.23 1.15 1.79 0.00 -1.26 -5.16 121.76 118.51 1jbi s ALA 2 Ca 0.00 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 1jbi s ALA 2 Cb 0.00 -0.40 0.27 0.00 0.00 0.00 0.00 23.12 22.99 1jbi s ALA 2 CO 0.00 -0.21 1.17 -1.25 0.00 0.00 0.00 175.76 175.47 1jbi s PRO 3 N 1.38 -0.79 -0.12 0.00 0.04 -1.26 -4.79 135.00 129.45 1jbi s PRO 3 Ca -0.05 -0.19 -0.02 0.00 0.04 0.00 0.00 61.00 60.78 1jbi s PRO 3 Cb -0.13 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1jbi s PRO 3 CO -0.03 -3.40 -0.04 0.42 0.04 0.00 0.00 177.00 173.99 1jbi s ILE 4 N -3.25 3.94 -0.38 0.56 1.09 -0.04 -4.96 121.20 118.16 1jbi s ILE 4 Ca 0.72 -0.36 -0.26 0.00 -1.10 0.00 0.00 60.65 59.65 1jbi s ILE 4 Cb -0.08 -2.69 0.02 0.00 -1.06 0.00 0.00 42.46 38.65 1jbi s ILE 4 CO 0.55 0.54 0.95 0.00 -0.10 0.00 0.00 174.94 176.88 1jbi s ALA 5 N -0.13 3.39 0.14 9.38 0.00 -1.26 -2.00 121.76 131.28 1jbi s ALA 5 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1jbi s ALA 5 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1jbi s ALA 5 CO 0.02 -1.67 0.16 0.96 0.00 0.00 0.00 175.76 175.24 1jbi s ILE 6 N 3.57 4.71 -0.51 0.00 -5.25 -0.96 -4.96 121.20 117.80 1jbi s ILE 6 Ca 0.39 -0.92 0.02 0.00 -0.99 0.00 0.00 60.65 59.15 1jbi s ILE 6 Cb -0.12 -3.38 0.50 0.00 2.95 0.00 0.00 42.46 42.42 1jbi s ILE 6 CO 0.20 -0.06 1.79 1.07 -1.79 0.00 0.00 174.94 176.15 1jbi n THR 7 N -0.23 3.21 -0.67 8.37 5.66 -1.26 -4.34 114.28 125.01 1jbi n THR 7 Ca -0.08 -2.94 -0.03 0.00 -3.05 0.00 0.00 64.05 57.96 1jbi n THR 7 Cb 0.54 -0.91 -0.01 0.00 -1.55 0.00 0.00 70.33 68.40 1jbi n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jbi n PHE 9 N -1.04 0.00 -1.96 0.00 7.35 -1.26 -4.58 117.46 115.97 1jbi n PHE 9 Ca -0.03 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.24 1jbi n PHE 9 Cb 0.22 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 39.99 1jbi n PHE 9 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1jbi s THR 10 N -1.72 3.24 0.67 -2.13 2.01 -1.26 -4.85 115.64 111.61 1jbi s THR 10 Ca 0.01 0.57 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 1jbi s THR 10 Cb 0.04 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1jbi s THR 10 CO 0.22 -0.02 1.07 -0.13 -0.69 0.00 0.00 174.62 175.07 1jbi s ARG 11 N 3.13 3.14 0.00 4.92 0.52 -1.26 -1.71 118.95 127.69 1jbi s ARG 11 Ca 0.74 0.61 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 1jbi s ARG 11 Cb -0.37 -2.04 0.42 0.00 0.52 0.00 0.00 34.95 33.47 1jbi s ARG 11 CO 0.32 -0.87 0.87 0.41 0.02 0.00 0.00 175.30 176.05 1jbi n GLY 12 N -2.83 -0.23 0.18 -3.53 0.00 0.38 -2.43 105.19 96.73 1jbi n GLY 12 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1jbi n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jbi h LEU 13 N 0.00 0.00 -0.16 0.99 3.38 -1.53 -2.85 115.31 115.14 1jbi h LEU 13 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jbi h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jbi h LEU 13 CO 0.00 0.43 -0.33 0.44 0.09 0.00 0.00 178.44 179.07 1jbi h ASP 14 N 0.00 0.56 -2.91 -0.43 5.19 -1.80 -3.41 116.42 113.62 1jbi h ASP 14 Ca -0.00 -0.56 -0.71 0.00 -0.62 0.00 0.00 57.03 55.13 1jbi h ASP 14 Cb 0.76 -0.16 -0.20 0.00 0.18 0.00 0.00 39.33 39.91 1jbi h ASP 14 CO 0.06 1.02 0.42 -0.63 -3.12 0.00 0.00 179.24 176.99 1jbi s ILE 15 N -4.00 4.94 -0.12 0.35 -1.09 -1.08 -4.80 121.20 115.41 1jbi s ILE 15 Ca -0.13 -1.54 0.14 0.00 -2.23 0.00 0.00 60.65 56.89 1jbi s ILE 15 Cb 0.06 -4.61 0.28 0.00 -1.58 0.00 0.00 42.46 36.61 1jbi s ILE 15 CO 0.80 -1.28 1.14 0.54 -1.23 0.00 0.00 174.94 174.92 1jbi n ARG 16 N 5.93 1.03 -1.83 2.79 5.12 -1.26 -4.89 116.66 123.54 1jbi n ARG 16 Ca 0.10 -2.43 -0.31 0.00 -1.93 0.00 0.00 57.85 53.27 1jbi n ARG 16 Cb 0.46 -1.23 0.02 0.00 -1.16 0.00 0.00 32.46 30.55 1jbi n ARG 16 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1jbi s LYS 17 N -2.23 3.31 0.44 5.56 -0.14 -1.26 -4.93 119.74 120.49 1jbi s LYS 17 Ca 0.28 0.94 0.16 0.00 -1.36 0.00 0.00 55.97 55.99 1jbi s LYS 17 Cb 0.26 -2.04 1.08 0.00 -1.68 0.00 0.00 37.83 35.45 1jbi s LYS 17 CO -0.02 -0.80 1.94 1.49 -0.76 0.00 0.00 175.35 177.21 1jbi h GLU 18 N -0.22 0.37 -2.03 1.68 4.57 -1.96 -3.38 114.58 113.61 1jbi h GLU 18 Ca -0.45 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1jbi h GLU 18 Cb 1.20 -0.08 -0.20 0.00 -0.16 0.00 0.00 28.75 29.51 1jbi h GLU 18 CO 0.59 0.24 0.15 -1.59 -1.18 0.00 0.00 179.01 177.22 1jbi s LYS 19 N -5.37 0.96 -0.09 1.92 -2.85 -1.26 -0.70 119.74 112.34 1jbi s LYS 19 Ca -0.08 0.55 -0.21 0.00 -1.00 0.00 0.00 55.97 55.24 1jbi s LYS 19 Cb 0.21 0.46 0.05 0.00 -2.06 0.00 0.00 37.83 36.48 1jbi s LYS 19 CO 0.76 -0.23 0.49 0.00 0.10 0.00 0.00 175.35 176.47 1jbi s ALA 20 N -0.55 -1.25 -0.14 0.59 0.00 -0.08 -4.98 121.76 115.35 1jbi s ALA 20 Ca -0.07 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 1jbi s ALA 20 Cb -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1jbi s ALA 20 CO 0.06 -0.29 0.12 -0.51 0.00 0.00 0.00 175.76 175.15 1jbi s ASP 21 N -0.69 6.21 0.02 0.00 1.11 -1.26 -0.34 116.67 121.72 1jbi s ASP 21 Ca -0.08 0.35 0.02 0.00 0.18 0.00 0.00 52.55 53.03 1jbi s ASP 21 Cb -0.03 -2.03 -0.02 0.00 1.07 0.00 0.00 42.92 41.92 1jbi s ASP 21 CO 0.05 0.33 -0.08 0.68 1.18 0.00 0.00 175.17 177.33 1jbi s VAL 22 N -0.54 0.56 -0.16 -1.27 -7.23 0.21 -0.86 120.40 111.11 1jbi s VAL 22 Ca 0.12 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.55 1jbi s VAL 22 Cb -0.12 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 1jbi s VAL 22 CO 0.02 -0.12 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.87 1jbi s LEU 23 N -0.91 3.13 -0.79 1.32 2.01 -0.85 -0.49 118.68 122.10 1jbi s LEU 23 Ca -0.03 -0.18 -0.05 0.00 0.01 0.00 0.00 54.13 53.87 1jbi s LEU 23 Cb -0.06 -1.75 0.20 0.00 0.01 0.00 0.00 46.19 44.59 1jbi s LEU 23 CO 0.00 0.15 0.66 0.00 1.01 0.00 0.00 176.35 178.18 1jbi s PRO 25 N -0.53 3.15 0.33 0.00 0.04 -1.26 -0.67 135.00 136.06 1jbi s PRO 25 Ca 0.22 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1jbi s PRO 25 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1jbi s PRO 25 CO -0.08 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1jbi n GLY 26 N -1.93 0.65 0.00 0.56 0.00 -1.26 -4.65 105.19 98.55 1jbi n GLY 26 Ca 0.07 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1jbi n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 27 N 0.00 -0.15 3.62 -0.02 0.00 -1.20 -4.49 105.19 102.95 1jbi n GLY 27 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jbi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbi s PRO 29 N -3.35 1.73 -1.53 0.00 0.04 -1.26 -4.62 135.00 126.01 1jbi s PRO 29 Ca 0.25 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1jbi s PRO 29 Cb -0.03 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1jbi s PRO 29 CO 0.89 -2.14 2.64 1.28 0.04 0.00 0.00 177.00 179.70 1jbi n LEU 30 N -3.18 8.04 -0.08 -3.56 4.32 -1.26 -4.48 117.00 116.80 1jbi n LEU 30 Ca 0.14 -4.37 -0.09 0.00 -0.02 0.00 0.00 56.01 51.66 1jbi n LEU 30 Cb 0.50 -1.57 -0.04 0.00 -1.62 0.00 0.00 43.42 40.70 1jbi n LEU 30 CO 0.48 1.75 -0.45 1.21 -1.22 0.00 0.00 177.39 179.17 1jbi n GLU 31 N 4.17 0.49 -3.59 3.23 4.07 -1.26 -4.85 120.64 122.89 1jbi n GLU 31 Ca 0.67 0.51 -0.29 0.00 -0.06 0.00 0.00 57.16 57.99 1jbi n GLU 31 Cb 0.29 -1.68 -0.12 0.00 -0.06 0.00 0.00 31.44 29.86 1jbi n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1jbi s GLU 32 N -2.33 1.03 -0.24 5.31 2.02 -1.26 -5.05 118.70 118.18 1jbi s GLU 32 Ca -0.20 -1.83 0.02 0.00 0.02 0.00 0.00 54.97 52.98 1jbi s GLU 32 Cb 0.03 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.41 1jbi s GLU 32 CO 0.32 -1.21 -0.12 -0.06 0.02 0.00 0.00 175.26 174.22 1jbi s PHE 33 N 0.50 3.14 -0.13 1.61 0.08 -1.26 -4.76 117.98 117.16 1jbi s PHE 33 Ca 0.20 -2.05 0.00 0.00 0.12 0.00 0.00 56.93 55.19 1jbi s PHE 33 Cb -0.20 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1jbi s PHE 33 CO -0.03 -0.84 -0.11 0.45 -0.10 0.00 0.00 175.22 174.59 1jbi s SER 34 N 1.18 2.44 0.20 1.36 0.15 -1.26 -4.70 113.70 113.07 1jbi s SER 34 Ca -0.05 -0.40 0.11 0.00 0.70 0.00 0.00 55.95 56.31 1jbi s SER 34 Cb -0.18 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1jbi s SER 34 CO -0.06 -0.08 -0.22 -0.69 1.20 0.00 0.00 173.24 173.39 1jbi s VAL 35 N 1.55 2.23 -0.25 4.45 1.01 -0.98 -0.64 120.40 127.77 1jbi s VAL 35 Ca 0.04 -2.08 -0.04 0.00 0.00 0.00 0.00 61.98 59.91 1jbi s VAL 35 Cb -0.13 -2.09 0.10 0.00 0.00 0.00 0.00 36.38 34.26 1jbi s VAL 35 CO -0.09 -0.23 0.16 -0.31 0.00 0.00 0.00 175.10 174.63 1jbi s TYR 36 N -1.94 0.06 0.00 5.22 1.51 -1.26 -1.96 117.35 118.98 1jbi s TYR 36 Ca 0.21 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1jbi s TYR 36 Cb -0.07 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 1jbi s TYR 36 CO 0.10 -0.73 0.00 0.41 -1.11 0.00 0.00 175.55 174.22 1jbi n GLY 37 N 5.28 -2.27 3.89 0.71 0.00 0.10 -1.71 105.19 111.19 1jbi n GLY 37 Ca -0.05 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1jbi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbi s ASN 38 N -3.09 6.51 0.00 1.61 4.22 -1.26 -4.43 114.94 118.50 1jbi s ASN 38 Ca 0.00 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 1jbi s ASN 38 Cb 0.00 -2.10 0.00 0.00 1.28 0.00 0.00 41.25 40.43 1jbi s ASN 38 CO 0.00 0.13 0.00 -0.38 -2.04 0.00 0.00 177.10 174.81 1jbi n ILE 39 N 0.51 0.00 -2.91 0.54 2.08 -1.26 -4.70 119.36 113.62 1jbi n ILE 39 Ca -0.06 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.83 1jbi n ILE 39 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.36 1jbi n ILE 39 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1jbi s VAL 40 N 0.00 4.71 -0.29 1.39 1.01 -1.26 -4.21 120.40 121.75 1jbi s VAL 40 Ca 0.00 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 1jbi s VAL 40 Cb 0.00 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1jbi s VAL 40 CO 0.00 -0.40 0.13 -0.31 0.00 0.00 0.00 175.10 174.52 1jbi s TYR 41 N 3.15 3.16 0.81 5.22 2.02 0.63 -4.04 117.35 128.30 1jbi s TYR 41 Ca 0.34 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 1jbi s TYR 41 Cb -0.13 -2.32 0.08 0.00 -0.40 0.00 0.00 41.96 39.19 1jbi s TYR 41 CO 0.16 -0.40 1.12 0.00 -1.57 0.00 0.00 175.55 174.86 1jbi s ALA 42 N 1.63 1.99 0.32 3.71 0.00 -0.69 -0.46 121.76 128.26 1jbi s ALA 42 Ca 0.05 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1jbi s ALA 42 Cb -0.16 -3.36 0.89 0.00 0.00 0.00 0.00 23.12 20.49 1jbi s ALA 42 CO 0.06 -2.08 1.72 1.03 0.00 0.00 0.00 175.76 176.49 1jbi h SER 43 N -1.19 0.62 0.37 0.00 0.87 -1.49 -0.20 113.55 112.53 1jbi h SER 43 Ca -0.44 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1jbi h SER 43 Cb 1.25 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1jbi h SER 43 CO 0.48 0.06 0.00 0.55 -0.53 0.00 0.00 176.83 177.39 1jbi n VAL 44 N -4.92 1.01 -1.99 2.23 3.14 -1.26 -1.45 118.33 115.07 1jbi n VAL 44 Ca 0.27 0.46 -0.41 0.00 -2.96 0.00 0.00 64.34 61.69 1jbi n VAL 44 Cb 0.76 -1.41 -0.02 0.00 -1.06 0.00 0.00 33.84 32.12 1jbi n VAL 44 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jbi s SER 45 N -3.99 6.62 0.26 6.55 0.01 -0.09 -4.56 113.70 118.50 1jbi s SER 45 Ca 0.01 2.76 -0.30 0.00 1.31 0.00 0.00 55.95 59.73 1jbi s SER 45 Cb 0.07 -2.64 -0.11 0.00 0.21 0.00 0.00 66.02 63.56 1jbi s SER 45 CO 0.28 -0.69 1.51 -0.55 0.41 0.00 0.00 173.24 174.20 1jbi s SER 46 N -0.00 6.53 0.14 2.44 0.15 0.19 -0.47 113.70 122.67 1jbi s SER 46 Ca 0.55 2.78 -0.12 0.00 0.70 0.00 0.00 55.95 59.86 1jbi s SER 46 Cb -0.42 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.24 1jbi s SER 46 CO 0.50 -0.80 1.52 0.40 1.20 0.00 0.00 173.24 176.06 1jbi h ILE 47 N 3.50 1.28 -0.29 6.45 2.04 -1.64 0.61 117.51 129.46 1jbi h ILE 47 Ca -0.46 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 1jbi h ILE 47 Cb 1.22 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1jbi h ILE 47 CO 0.79 0.45 0.16 0.00 0.00 0.00 0.00 178.15 179.55 1jbi h GLY 49 N 0.35 -1.20 0.74 0.00 0.00 -1.77 0.08 103.07 101.26 1jbi h GLY 49 Ca 0.10 0.68 0.04 0.00 0.00 0.00 0.00 47.33 48.15 1jbi h GLY 49 CO -0.02 -0.29 0.15 0.00 0.00 0.00 0.00 176.54 176.39 1jbi h ALA 50 N -0.58 0.44 0.08 3.60 0.00 -0.78 -0.17 119.26 121.85 1jbi h ALA 50 Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jbi h ALA 50 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jbi h ALA 50 CO -0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 1jbi h ALA 51 N 1.22 -0.10 -0.38 0.00 0.00 -0.69 0.42 119.26 119.72 1jbi h ALA 51 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jbi h ALA 51 Cb 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jbi h ALA 51 CO -0.14 -0.42 0.01 0.28 0.00 0.00 0.00 179.25 178.98 1jbi h VAL 52 N -0.39 1.26 -0.68 0.00 2.07 -0.98 -0.55 116.25 116.98 1jbi h VAL 52 Ca -0.01 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1jbi h VAL 52 Cb 0.33 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1jbi h VAL 52 CO 0.02 0.33 0.35 -0.74 0.02 0.00 0.00 177.57 177.55 1jbi h HIS 53 N 0.49 0.64 0.00 1.57 6.17 -0.97 -0.80 115.15 122.26 1jbi h HIS 53 Ca 0.11 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.19 1jbi h HIS 53 Cb 0.45 -0.19 -0.00 0.00 2.52 0.00 0.00 27.41 30.19 1jbi h HIS 53 CO 0.04 0.27 -0.13 -0.09 0.71 0.00 0.00 177.93 178.73 1jbi h ARG 54 N 0.63 0.00 -2.64 5.26 9.65 -0.79 -3.45 114.38 123.04 1jbi h ARG 54 Ca 0.32 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1jbi h ARG 54 Cb 0.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1jbi h ARG 54 CO -0.22 0.13 -0.01 0.41 2.80 0.00 0.00 179.97 183.08 1jbi n GLY 55 N -0.39 0.71 0.14 2.80 0.00 -0.30 -5.03 105.19 103.11 1jbi n GLY 55 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1jbi n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jbi n VAL 56 N -1.33 1.49 -4.40 1.61 0.31 -0.28 -5.03 118.33 110.70 1jbi n VAL 56 Ca -0.00 0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.27 1jbi n VAL 56 Cb 0.50 -2.31 -0.10 0.00 -0.91 0.00 0.00 33.84 31.02 1jbi n VAL 56 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1jbi s ILE 57 N -2.86 1.77 0.92 2.52 -4.36 -1.25 -4.98 121.20 112.96 1jbi s ILE 57 Ca -0.28 -2.19 -0.12 0.00 -0.26 0.00 0.00 60.65 57.80 1jbi s ILE 57 Cb 0.04 -2.27 0.14 0.00 1.25 0.00 0.00 42.46 41.61 1jbi s ILE 57 CO 0.41 -0.43 1.13 -0.44 0.24 0.00 0.00 174.94 175.85 1jbi s SER 58 N -3.40 3.44 -1.18 4.36 0.01 -1.26 -4.37 113.70 111.29 1jbi s SER 58 Ca 0.27 1.02 -0.18 0.00 1.31 0.00 0.00 55.95 58.36 1jbi s SER 58 Cb 0.01 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 1jbi s SER 58 CO 0.10 -2.60 1.99 -3.20 0.41 0.00 0.00 173.24 169.95 1jbi n ASN 59 N -3.80 3.58 0.08 2.44 4.05 -1.26 -3.33 115.26 117.02 1jbi n ASN 59 Ca 0.06 -2.79 0.00 0.00 0.45 0.00 0.00 54.58 52.30 1jbi n ASN 59 Cb 0.59 -1.53 0.00 0.00 1.23 0.00 0.00 39.78 40.07 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jbi n SER 60 N 8.24 -0.73 0.00 1.20 2.88 -1.25 -4.84 113.62 119.12 1jbi n SER 60 Ca 0.50 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1jbi n SER 60 Cb 0.42 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 1jbi n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbi n GLY 61 N 0.50 -0.73 0.00 0.46 0.00 -1.21 -1.91 105.19 102.30 1jbi n GLY 61 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1jbi n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 62 N -0.46 1.07 3.75 -0.02 0.00 0.16 -4.54 105.19 105.15 1jbi n GLY 62 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1jbi n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jbi s PRO 63 N -1.53 4.34 0.08 1.61 0.02 -1.26 -1.38 135.00 136.88 1jbi s PRO 63 Ca 0.00 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 1jbi s PRO 63 Cb 0.00 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1jbi s PRO 63 CO 0.00 -0.28 -0.03 0.08 -0.33 0.00 0.00 177.00 176.44 1jbi s VAL 64 N -0.45 0.38 -0.16 3.83 1.01 0.35 -4.37 120.40 121.00 1jbi s VAL 64 Ca 0.54 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1jbi s VAL 64 Cb -0.40 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.37 1jbi s VAL 64 CO 0.46 -0.88 -0.10 -0.60 0.00 0.00 0.00 175.10 173.98 1jbi s ARG 65 N -3.90 1.86 -0.01 2.72 3.52 -0.07 -0.62 118.95 122.44 1jbi s ARG 65 Ca 0.11 -0.55 -0.18 0.00 -0.13 0.00 0.00 55.73 54.99 1jbi s ARG 65 Cb 0.07 -2.04 -0.05 0.00 -1.56 0.00 0.00 34.95 31.37 1jbi s ARG 65 CO -0.07 -0.33 0.50 0.08 -0.81 0.00 0.00 175.30 174.67 1jbi s VAL 66 N 1.55 4.98 -0.15 7.11 1.01 0.54 -0.13 120.40 135.30 1jbi s VAL 66 Ca 0.03 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1jbi s VAL 66 Cb -0.14 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1jbi s VAL 66 CO -0.09 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.02 1jbi s TYR 67 N -0.48 2.34 0.91 5.22 2.02 -0.39 -0.90 117.35 126.07 1jbi s TYR 67 Ca 0.27 -1.33 -0.11 0.00 -0.37 0.00 0.00 57.07 55.53 1jbi s TYR 67 Cb -0.17 -1.68 0.14 0.00 -0.40 0.00 0.00 41.96 39.84 1jbi s TYR 67 CO 0.15 -0.70 1.11 -1.54 -1.57 0.00 0.00 175.55 173.00 1jbi s SER 68 N 1.38 3.11 0.01 2.29 1.04 0.12 -0.58 113.70 121.08 1jbi s SER 68 Ca 0.04 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.40 1jbi s SER 68 Cb -0.13 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1jbi s SER 68 CO -0.11 -2.93 -0.05 -0.22 0.98 0.00 0.00 173.24 170.91 1jbi s LEU 69 N -6.47 2.09 0.00 2.42 0.20 -0.14 -4.64 118.68 112.15 1jbi s LEU 69 Ca 0.65 -0.24 -0.17 0.00 0.69 0.00 0.00 54.13 55.07 1jbi s LEU 69 Cb -0.21 -0.19 0.25 0.00 -0.43 0.00 0.00 46.19 45.61 1jbi s LEU 69 CO 0.58 -0.04 0.72 -0.81 -0.29 0.00 0.00 176.35 176.52 1jbi n PRO 70 N 2.46 -3.36 -1.69 0.98 -0.04 -1.26 -2.27 135.00 129.82 1jbi n PRO 70 Ca -0.16 -1.18 -0.44 0.00 -0.04 0.00 0.00 63.50 61.68 1jbi n PRO 70 Cb 0.57 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 1jbi n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbi n GLY 71 N -3.56 0.82 3.34 0.55 0.00 -1.26 -4.06 105.19 101.01 1jbi n GLY 71 Ca 0.11 0.45 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 1jbi n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbi s ARG 72 N -0.75 1.38 0.26 1.61 0.52 -0.80 -4.97 118.95 116.19 1jbi s ARG 72 Ca 0.65 -1.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.07 1jbi s ARG 72 Cb -0.61 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.28 1jbi s ARG 72 CO 0.52 -0.15 0.39 -1.83 0.02 0.00 0.00 175.30 174.25 1jbi s GLU 73 N -3.90 1.56 -1.28 3.54 -1.05 -1.26 -1.95 118.70 114.36 1jbi s GLU 73 Ca 0.31 -1.49 -0.17 0.00 -0.15 0.00 0.00 54.97 53.48 1jbi s GLU 73 Cb 0.07 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1jbi s GLU 73 CO 0.10 -0.62 0.57 0.09 0.95 0.00 0.00 175.26 176.36 1jbi n ASN 74 N -0.64 -2.94 -3.43 0.83 3.02 -1.26 -4.94 115.26 105.91 1jbi n ASN 74 Ca 0.00 -1.12 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 1jbi n ASN 74 Cb 0.63 -2.63 0.16 0.00 -0.61 0.00 0.00 39.78 37.33 1jbi n ASN 74 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jbi n TYR 75 N -4.53 -3.94 -4.47 3.10 4.02 -1.26 -5.06 117.16 105.02 1jbi n TYR 75 Ca -0.18 -0.87 -0.22 0.00 -0.01 0.00 0.00 57.90 56.61 1jbi n TYR 75 Cb 0.62 -0.81 -0.11 0.00 -0.02 0.00 0.00 39.34 39.03 1jbi n TYR 75 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1jbi s SER 76 N -4.54 2.58 -0.05 7.72 0.01 -1.26 -4.75 113.70 113.40 1jbi s SER 76 Ca 0.57 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 56.51 1jbi s SER 76 Cb -0.02 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 1jbi s SER 76 CO 0.41 -0.58 -0.21 -0.44 0.41 0.00 0.00 173.24 172.83 1jbi s SER 77 N -3.52 2.60 -0.13 2.44 0.01 -1.26 -1.95 113.70 111.90 1jbi s SER 77 Ca 0.36 -0.43 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 1jbi s SER 77 Cb 0.09 -0.71 0.04 0.00 0.21 0.00 0.00 66.02 65.65 1jbi s SER 77 CO 0.16 0.20 0.43 -0.69 0.41 0.00 0.00 173.24 173.75 1jbi s VAL 78 N -0.07 0.01 0.02 3.43 1.01 -0.18 -4.98 120.40 119.65 1jbi s VAL 78 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1jbi s VAL 78 Cb -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1jbi s VAL 78 CO 0.03 -0.05 0.05 -0.62 0.00 0.00 0.00 175.10 174.50 1jbi s ASP 79 N -0.20 5.41 -0.19 3.32 -1.08 -1.26 -1.07 116.67 121.60 1jbi s ASP 79 Ca -0.04 0.05 -0.13 0.00 -0.52 0.00 0.00 52.55 51.91 1jbi s ASP 79 Cb -0.03 -1.47 0.06 0.00 -1.46 0.00 0.00 42.92 40.01 1jbi s ASP 79 CO 0.02 0.25 0.47 0.00 0.52 0.00 0.00 175.17 176.44 1jbi s ALA 80 N -1.19 -1.20 -1.88 3.66 0.00 -0.75 -4.92 121.76 115.48 1jbi s ALA 80 Ca 0.23 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1jbi s ALA 80 Cb -0.12 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1jbi s ALA 80 CO 0.14 -0.27 0.00 0.09 0.00 0.00 0.00 175.76 175.72 1jbi n ASN 81 N 3.75 -5.20 -1.53 0.00 3.02 -1.26 -2.55 115.26 111.49 1jbi n ASN 81 Ca -0.19 0.31 -0.06 0.00 -0.03 0.00 0.00 54.58 54.60 1jbi n ASN 81 Cb 0.56 -4.52 0.02 0.00 -0.61 0.00 0.00 39.78 35.24 1jbi n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jbi n GLY 82 N -0.58 0.40 2.80 7.41 0.00 -1.26 -5.05 105.19 108.91 1jbi n GLY 82 Ca -0.20 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 1jbi n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbi s ILE 83 N -3.10 -0.08 -0.19 -0.61 1.01 -1.06 -5.10 121.20 112.07 1jbi s ILE 83 Ca 0.11 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 1jbi s ILE 83 Cb -0.05 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 1jbi s ILE 83 CO 0.22 0.11 0.08 -1.58 0.00 0.00 0.00 174.94 173.76 1jbi s GLN 84 N 1.39 3.99 -0.17 2.79 2.00 -1.26 -1.81 119.66 126.59 1jbi s GLN 84 Ca -0.06 -0.33 -0.05 0.00 -2.00 0.00 0.00 55.36 52.93 1jbi s GLN 84 Cb -0.12 -3.27 -0.03 0.00 0.80 0.00 0.00 33.01 30.39 1jbi s GLN 84 CO -0.04 0.24 -0.01 -1.54 -0.50 0.00 0.00 175.29 173.43 1jbi s SER 85 N 0.48 4.90 0.17 6.67 1.04 -0.23 -2.33 113.70 124.40 1jbi s SER 85 Ca 0.04 -0.13 0.10 0.00 0.48 0.00 0.00 55.95 56.44 1jbi s SER 85 Cb -0.12 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1jbi s SER 85 CO 0.00 0.13 -0.19 0.00 0.98 0.00 0.00 173.24 174.17 1jbi s GLN 86 N 0.58 1.70 1.04 4.02 -2.07 -0.83 -1.01 119.66 123.09 1jbi s GLN 86 Ca -0.01 -1.39 -0.11 0.00 -1.82 0.00 0.00 55.36 52.02 1jbi s GLN 86 Cb -0.14 -1.98 0.21 0.00 -1.09 0.00 0.00 33.01 30.02 1jbi s GLN 86 CO 0.02 0.42 1.09 0.00 -1.32 0.00 0.00 175.29 175.50 1jbi s MET 87 N -2.60 0.06 0.26 9.60 0.23 -0.82 -0.72 119.30 125.31 1jbi s MET 87 Ca 0.21 1.19 0.02 0.00 -1.03 0.00 0.00 55.69 56.08 1jbi s MET 87 Cb -0.09 -1.64 -0.04 0.00 -1.53 0.00 0.00 34.83 31.53 1jbi s MET 87 CO 0.11 -3.17 0.14 -0.51 -2.03 0.00 0.00 175.02 169.57 1jbi s LEU 88 N -6.90 1.50 -0.79 0.18 1.02 -1.26 -4.85 118.68 107.58 1jbi s LEU 88 Ca 0.67 -1.47 -0.15 0.00 0.02 0.00 0.00 54.13 53.20 1jbi s LEU 88 Cb -0.24 0.24 0.20 0.00 0.02 0.00 0.00 46.19 46.41 1jbi s LEU 88 CO 0.61 -0.85 0.75 -0.94 0.02 0.00 0.00 176.35 175.95 1jbi s SER 89 N -3.29 6.67 -1.03 2.29 1.04 -1.26 -4.34 113.70 113.78 1jbi s SER 89 Ca 0.38 -2.51 -0.12 0.00 0.48 0.00 0.00 55.95 54.17 1jbi s SER 89 Cb 0.06 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.94 1jbi s SER 89 CO 0.16 -0.65 0.80 -1.14 0.98 0.00 0.00 173.24 173.39 1jbi n ARG 90 N 4.34 -1.53 -2.81 4.02 0.63 -1.26 -4.89 116.66 115.17 1jbi n ARG 90 Ca 0.10 0.75 -0.42 0.00 -0.92 0.00 0.00 57.85 57.36 1jbi n ARG 90 Cb 0.46 -4.68 -0.03 0.00 0.45 0.00 0.00 32.46 28.65 1jbi n ARG 90 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jbi s TRP 91 N -3.34 3.37 -0.26 -0.14 -0.11 -0.82 -4.86 118.94 112.78 1jbi s TRP 91 Ca 0.37 1.31 0.01 0.00 1.22 0.00 0.00 56.10 59.01 1jbi s TRP 91 Cb -0.10 -3.11 0.31 0.00 -1.50 0.00 0.00 33.47 29.06 1jbi s TRP 91 CO 0.81 -0.35 1.63 0.43 -4.62 0.00 0.00 176.95 174.85 1jbi n SER 92 N 5.75 4.34 -3.15 5.86 7.64 -1.26 -1.91 113.62 130.88 1jbi n SER 92 Ca 0.07 -2.91 0.05 0.00 1.01 0.00 0.00 58.87 57.09 1jbi n SER 92 Cb 0.48 -0.79 -0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1jbi n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbi s ALA 93 N -1.76 -2.97 0.30 -0.43 0.00 -1.26 -4.50 121.76 111.14 1jbi s ALA 93 Ca 0.30 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1jbi s ALA 93 Cb 0.25 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1jbi s ALA 93 CO 0.04 -1.78 0.10 -1.12 0.00 0.00 0.00 175.76 173.00 1jbi s SER 94 N 2.89 1.78 0.33 0.00 0.01 -0.96 -1.25 113.70 116.49 1jbi s SER 94 Ca 0.15 -1.45 -0.15 0.00 1.31 0.00 0.00 55.95 55.82 1jbi s SER 94 Cb -0.09 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.35 1jbi s SER 94 CO -0.22 -0.75 0.67 0.72 0.41 0.00 0.00 173.24 174.06 1jbi s PHE 95 N -3.53 0.22 -0.00 2.43 -0.71 0.39 -0.96 117.98 115.82 1jbi s PHE 95 Ca 0.35 -0.72 -0.01 0.00 -1.04 0.00 0.00 56.93 55.52 1jbi s PHE 95 Cb 0.07 0.55 -0.00 0.00 -1.21 0.00 0.00 43.02 42.43 1jbi s PHE 95 CO 0.15 -1.32 0.01 -0.08 -1.34 0.00 0.00 175.22 172.64 1jbi s THR 96 N -3.16 0.02 0.07 -4.49 -1.32 0.25 -0.27 115.64 106.75 1jbi s THR 96 Ca 0.18 -0.19 0.03 0.00 -1.21 0.00 0.00 61.69 60.50 1jbi s THR 96 Cb -0.04 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.83 1jbi s THR 96 CO 0.11 -0.10 0.05 0.54 -2.21 0.00 0.00 174.62 173.01 1jbi s VAL 97 N -0.30 4.38 0.29 5.08 0.11 -1.26 -1.27 120.40 127.43 1jbi s VAL 97 Ca -0.03 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1jbi s VAL 97 Cb -0.02 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1jbi s VAL 97 CO -0.00 0.16 0.39 0.42 -3.33 0.00 0.00 175.10 172.74 1jbi s THR 98 N -1.33 0.00 0.69 5.04 -4.23 0.82 -4.98 115.64 111.66 1jbi s THR 98 Ca 0.27 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1jbi s THR 98 Cb -0.12 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1jbi s THR 98 CO 0.19 0.00 1.06 -0.76 -0.54 0.00 0.00 174.62 174.58 1jbi s LEU 99 N -3.19 2.92 0.00 4.79 1.43 -1.26 -0.89 118.68 122.48 1jbi s LEU 99 Ca 0.31 0.98 0.31 0.00 -1.03 0.00 0.00 54.13 54.71 1jbi s LEU 99 Cb 0.01 -3.75 1.88 0.00 0.03 0.00 0.00 46.19 44.36 1jbi s LEU 99 CO 0.17 -1.36 2.20 1.21 0.23 0.00 0.00 176.35 178.80